CID 173313985

C21H25Cl2SiZr — CID 173313985

IUPAC—
SMILESCC.C[SiH2].[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+4].[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.C5H5.C2H6.CH5Si.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;2*1-2;;;/h1-5,7-8H,9H2;1-3H,4H2;1-2H3;2H2,1H3;2*1H;/q2*-1;;;;;+4/p-2
InChIKeyJYGCTGWIVGFXAI-UHFFFAOYSA-L
MW467.65 g/mol
LogP-0.94
Rot. Bonds

About CID 173313985

CID 173313985 (PubChem CID 173313985) has the molecular formula C21H25Cl2SiZr and a molecular weight of 467.65 g/mol.

Molecular Properties

Compound NameCID 173313985
PubChem CID173313985
Molecular FormulaC21H25Cl2SiZr
Molecular Weight467.65 g/mol
Exact Mass465.01
IUPAC Name—
SMILESCC.C[SiH2].[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+4].[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.C5H5.C2H6.CH5Si.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;2*1-2;;;/h1-5,7-8H,9H2;1-3H,4H2;1-2H3;2H2,1H3;2*1H;/q2*-1;;;;;+4/p-2
InChIKeyJYGCTGWIVGFXAI-UHFFFAOYSA-L
XLogP-0.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.65
LogP ≤ 5-0.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);chloride
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bis(cyclopenta-1,3-diene);bis(1,9-dihydrofluoren-1-ide);bis(propan-2-ylidenezirconium(2+));dichloride
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CID 173302368
CID 173302368
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butane;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;silylidenezirconium;dihydrochloride
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1,1'-biphenyl;carbanide;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;zirconium(3+);dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of CID 173313985?
The IUPAC name of CID 173313985 (CID 173313985) is not available.
What is the SMILES notation for CID 173313985?
The canonical SMILES for CID 173313985 is CC.C[SiH2].[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+4].[c-]1cccc2c1Cc1ccccc1-2.
What is the InChIKey of CID 173313985?
The InChIKey is JYGCTGWIVGFXAI-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9.C5H5.C2H6.CH5Si.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;2*1-2;;;/h1-5,7-8H,9H2;1-3H,4H2;1-2H3;2H2,1H3;2*1H;/q2*-1;;;;;+4/p-2.
What are the key properties of CID 173313985?
CID 173313985 has a molecular weight of 467.65 g/mol, XLogP of -0.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173313985 is sourced from PubChem (CID 173313985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).